![(S)-2-[3-(3,4-Dimethoxy-benzyl)-ureido]-4-methyl-pentanoic acid structure](/static/products/958/958984-66-2.png)
(S)-2-[3-(3,4-Dimethoxy-benzyl)-ureido]-4-methyl-pentanoic acid
TL;DR: (S)-2-[3-(3,4-Dimethoxy-benzyl)-ureido]-4-methyl-pentanoic acid (CAS 958984-66-2) is a chemical compound with molecular formula C16H24N2O5 and molecular weight 324.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[(3,4-dimethoxyphenyl)methylcarbamoylamino]-4-methylpentanoic acid
Also Known As: N-[(3,4-dimethoxybenzyl)carbamoyl]-L-leucine, (S)-2-(3-(3,4-dimethoxybenzyl)ureido)-4-methylpentanoic acid, (S)-2-[3-(3,4-Dimethoxy-benzyl)-ureido]-4-methyl-pentanoic acid, (2S)-2-[(3,4-dimethoxyphenyl)methylcarbamoylamino]-4-methylpentanoic acid, 2-[(3,4-dimethoxyphenyl)methylcarbamoylamino]-4-methyl-pentanoic Acid
| Molecular Formula | C16H24N2O5 |
|---|---|
| Molecular Weight | 324.17 g/mol |
| LogP | 2.0023 |
| Topological Polar Surface Area | 96.89 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 324.16852 |
| Heavy Atoms | 23 |
| Complexity | 545.27216 |
Chemical Identifiers
| CAS Number | 958984-66-2 |
|---|---|
| SMILES | CC(C)C[C@@H](C(=O)O)NC(=O)NCC1=CC(=C(C=C1)OC)OC |
Product Overview
(S)-2-[3-(3,4-Dimethoxy-benzyl)-ureido]-4-methyl-pentanoic acid (CAS 958984-66-2), with molecular formula C16H24N2O5 and molecular weight 324.17 g/mol. IUPAC: (2S)-2-[(3,4-dimethoxyphenyl)methylcarbamoylamino]-4-methylpentanoic acid.
Chemical Property Profile of (S)-2-[3-(3,4-Dimethoxy-benzyl)-ureido]-4-methyl-pentanoic acid
Property Insights of (S)-2-[3-(3,4-Dimethoxy-benzyl)-ureido]-4-methyl-pentanoic acid
The XLogP value of 2.0023 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-2-[3-(3,4-Dimethoxy-benzyl)-ureido]-4-methyl-pentanoic acid. The TPSA of 96.89 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-2-[3-(3,4-Dimethoxy-benzyl)-ureido]-4-methyl-pentanoic acid. Following Lipinski's Rule of Five, (S)-2-[3-(3,4-Dimethoxy-benzyl)-ureido]-4-methyl-pentanoic acid has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (S)-2-[3-(3,4-Dimethoxy-benzyl)-ureido]-4-methyl-pentanoic acid?
The CAS number of (S)-2-[3-(3,4-Dimethoxy-benzyl)-ureido]-4-methyl-pentanoic acid is 958984-66-2.
What is the molecular formula of (S)-2-[3-(3,4-Dimethoxy-benzyl)-ureido]-4-methyl-pentanoic acid?
The molecular formula of (S)-2-[3-(3,4-Dimethoxy-benzyl)-ureido]-4-methyl-pentanoic acid is C16H24N2O5.
What is the molecular weight of (S)-2-[3-(3,4-Dimethoxy-benzyl)-ureido]-4-methyl-pentanoic acid?
The molecular weight of (S)-2-[3-(3,4-Dimethoxy-benzyl)-ureido]-4-methyl-pentanoic acid is 324.17 g/mol.
Where can I buy (S)-2-[3-(3,4-Dimethoxy-benzyl)-ureido]-4-methyl-pentanoic acid?
You can request a quote for (S)-2-[3-(3,4-Dimethoxy-benzyl)-ureido]-4-methyl-pentanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-2-[3-(3,4-Dimethoxy-benzyl)-ureido]-4-methyl-pentanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (S)-2-[3-(3,4-Dimethoxy-benzyl)-ureido]-4-methyl-pentanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.